LAMMPS (23 Jun 2017)
  using 1 OpenMP thread(s) per MPI task
units lj
atom_style ellipsoid
boundary p p f
read_data Data_wall
  orthogonal box = (0 0 0) to (60 60 60)
  1 by 2 by 2 MPI processor grid
  reading atoms ...
  1 atoms
  1 ellipsoids
  reading velocities ...
  1 velocities
#------------------------------------#
pair_style resquared 1
pair_coeff 1 1 10.0 1.0 0.5 0.5 4 0.5 0.5 4 1
#------------------------------------#
timestep 0.0002
#------------------------------------#

compute temp all temp/asphere
thermo_modify temp temp

fix EES_substrate all wall/ees zhi EDGE 10 1 10 zlo EDGE 10 1 10
#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^#

thermo_style custom step temp press etotal f_EES_substrate f_EES_substrate[1]
WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:705)

fix NVE all nve/asphere
#------------------------------------#
compute qw all  property/atom quatw
compute qi all  property/atom quati
compute qj all  property/atom quatj
compute qk all  property/atom quatk
#------------------------------------#
thermo 500
#dump 1 all custom 1000 dump_substrate id type x y z c_qw c_qi c_qj c_qk
run 40000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 1.3
  ghost atom cutoff = 1.3
  binsize = 0.65, bins = 93 93 93
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair resquared, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 5.128 | 5.41 | 5.753 Mbytes
Step Temp Press TotEng f_EES_substrate f_EES_substrate[1] 
       0            0 0.00054301475            0            0            0 
     500            0 0.00054301501            0 -0.002011167 -0.00089853601 
    1000            0 0.0005430153            0 -0.0021039425 -0.00095953758 
    1500            0 0.00054301561            0 -0.0022030914 -0.0010262478 
    2000            0 0.00054301593            0 -0.002309218 -0.0010993652 
    2500            0 0.00054301628            0 -0.0024230015 -0.0011796956 
    3000            0 0.00054301666            0 -0.0025452078 -0.0012681725 
    3500            0 0.00054301707            0 -0.0026767034 -0.0013658817 
    4000            0 0.00054301751            0 -0.0028184722 -0.0014740918 
    4500            0 0.00054301798            0 -0.0029716352 -0.0015942917 
    5000            0 0.00054301849            0 -0.0031374752 -0.0017282378 
    5500            0 0.00054301905            0 -0.0033174662 -0.0018780129 
    6000            0 0.00054301965            0 -0.0035133093 -0.0020461007 
    6500            0 0.00054302031            0 -0.0037269778 -0.0022354811 
    7000            0 0.00054302103            0 -0.0039607721 -0.0024497521 
    7500            0 0.00054302182            0 -0.0042173892 -0.0026932881 
    8000            0 0.0005430227            0 -0.0045000102 -0.0029714471 
    8500            0 0.00054302366            0 -0.0048124114 -0.003290844 
    9000            0 0.00054302473            0 -0.0051591071 -0.0036597154 
    9500            0 0.00054302592            0 -0.0055455349 -0.0040884113 
   10000            0 0.00054302726            0 -0.0059782985 -0.0045900652 
   10500            0 0.00054302876            0 -0.0064654891 -0.0051815166 
   11000            0 0.00054303046            0 -0.0070171161 -0.0058845936 
   11500            0 0.0005430324            0 -0.0076456899 -0.0067279075 
   12000            0 0.00054303463            0 -0.0083670175 -0.0077493697 
   12500            0 0.00054303721            0 -0.0092012967 -0.0089996821 
   13000            0 0.00054304021            0 -0.010174616 -0.010546991 
   13500            0 0.00054304375            0 -0.011320967 -0.012482357 
   14000            0 0.00054304796            0 -0.012684757  -0.01492338 
   14500            0 0.00054305301            0 -0.014323176  -0.01800425 
   15000            0 0.00054305913            0 -0.016305242 -0.021804766 
   15500            0 0.0005430665            0 -0.018693849 -0.026019991 
   16000            0 0.00054307501            0 -0.021450982 -0.028460977 
   16500            0 0.0005430828            0 -0.023974925 -0.017549988 
   17000            0 0.00054307849            0 -0.022577692   0.07296284 
   17500            0 0.00054298744            0 0.0069237358   0.72962844 
   18000            0 0.00054212125            0   0.28756839    7.5171061 
   18500            0 0.00052809177            0    4.8331004    159.56814 
   19000            0 0.00019717774            0    112.04947    5692.3379 
   19500            0 0.00051978321            0    7.5250598    262.38764 
   20000            0 0.00054179603            0   0.39293697    10.289153 
   20500            0 0.00054296932            0   0.01279406   0.89377639 
   21000            0 0.00054308425            0  -0.02444466  0.081890707 
   21500            0 0.0005430907            0 -0.026532401 -0.021386086 
   22000            0 0.00054308271            0 -0.023944983 -0.032642459 
   22500            0 0.00054307381            0  -0.02106205 -0.029524272 
   23000            0 0.00054306612            0 -0.018569361 -0.024753431 
   23500            0 0.00054305976            0  -0.01650866 -0.020566675 
   24000            0 0.00054305452            0 -0.014811253 -0.017216347 
   24500            0 0.00054305017            0 -0.013402896 -0.014581066 
   25000            0 0.00054304653            0 -0.012222687  -0.01250069 
   25500            0 0.00054304345            0 -0.011223677   -0.0108418 
   26000            0 0.00054304081            0 -0.010370111 -0.0095034766 
   26500            0 0.00054303854            0 -0.0096346546 -0.0084112161 
   27000            0 0.00054303657            0 -0.0089962072 -0.0075100751 
   27500            0 0.00054303485            0 -0.0084382935 -0.0067592209 
   28000            0 0.00054303334            0 -0.0079478992 -0.0061279726 
   28500            0  0.000543032            0 -0.0075146283 -0.0055930001 
   29000            0 0.00054303081            0 -0.0071300893 -0.0051363504 
   29500            0 0.00054302976            0 -0.0067874426  -0.00474405 
   30000            0 0.00054302881            0 -0.0064810641 -0.0044051051 
   30500            0 0.00054302796            0 -0.0062062911 -0.0041107799 
   31000            0 0.0005430272            0 -0.0059592289 -0.0038540677 
   31500            0 0.00054302651            0 -0.0057366023 -0.0036293011 
   32000            0 0.00054302589            0 -0.0055356393 -0.0034318592 
   32500            0 0.00054302533            0 -0.0053539804 -0.0032579475 
   33000            0 0.00054302482            0 -0.0051896066 -0.0031044289 
   33500            0 0.00054302436            0 -0.0050407818 -0.0029686945 
   34000            0 0.00054302395            0 -0.0049060063 -0.002848562 
   34500            0 0.00054302357            0 -0.0047839795 -0.002742197 
   35000            0 0.00054302323            0 -0.0046735688 -0.0026480503 
   35500            0 0.00054302292            0 -0.0045737849 -0.0025648085 
   36000            0 0.00054302264            0 -0.0044837605 -0.0024913535 
   36500            0 0.00054302239            0 -0.0044027327 -0.0024267309 
   37000            0 0.00054302217            0 -0.0043300292 -0.0023701236 
   37500            0 0.00054302197            0 -0.0042650554 -0.0023208304 
   38000            0 0.00054302179            0 -0.0042072838 -0.0022782486 
   38500            0 0.00054302163            0 -0.0041562461 -0.0022418592 
   39000            0 0.0005430215            0 -0.0041115244 -0.0022112152 
   39500            0 0.00054302138            0 -0.0040727453 -0.0021859312 
   40000            0 0.00054302127            0 -0.0040395743 -0.0021656748 
Loop time of 0.216115 on 4 procs for 40000 steps with 1 atoms

Performance: 3198303.409 tau/day, 185087.003 timesteps/s
98.5% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.0020442  | 0.0047204  | 0.012008   |   6.1 |  2.18
Neigh   | 0.0069654  | 0.0072649  | 0.0074701  |   0.2 |  3.36
Comm    | 0.024762   | 0.039833   | 0.056166   |   7.4 | 18.43
Output  | 0.0020285  | 0.0023268  | 0.0026891  |   0.5 |  1.08
Modify  | 0.0081856  | 0.013537   | 0.029052   |   7.7 |  6.26
Other   |            | 0.1484     |            |       | 68.68

Nlocal:    0.25 ave 1 max 0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Nghost:    0.25 ave 1 max 0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0

Total # of neighbors = 0
Ave neighs/atom = 0
Neighbor list builds = 33
Dangerous builds = 0

Total wall time: 0:00:00
